Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | VNN1 | O95497 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL177882 | 0.78 | ALDH1A1 (0.53) | CYP1A2ALDH1A1TSHRCYP2C19HTT | |
| SCHEMBL29993219 | 0.78 | ALDH1A1 (0.53) | CYP1A2ALDH1A1TSHRCYP2C19HTT | |
| SCHEMBL7984006 | 0.74 | CYP1A2 (0.53) | CTDSP1CYP1A2P2RX7VNN1ALDH1A1 | |
| SCHEMBL24016471 | 0.73 | MTNR1A (0.47) | CTDSP1CYP1A2P2RX7POLBBLM | |
| SCHEMBL7980749 | 0.73 | NOS2 (0.42) | NPSR1 | |
| SCHEMBL31187687 | 0.73 | CES1 (0.49) | CTDSP1CYP1A2P2RX7VNN1ALDH1A1 | |
| SCHEMBL3079246 | 0.73 | CYP1A2 (0.47) | CTDSP1CYP1A2P2RX7VNN1CYP2C9 | |
| SCHEMBL18642985 | 0.73 | CTDSP1 (0.58) | CTDSP1CYP1A2P2RX7VNN1ALDH1A1 | |
| SCHEMBL27883898 | 0.73 | CYP1A2 (0.50) | CTDSP1CYP1A2P2RX7VNN1CYP2C9 | |
| SCHEMBL5017194 | 0.72 | CYP1A2 (0.53) | CYP1A2HDAC3HDAC4HDAC1HDAC7 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6174877-B1 | EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-16 | — | — | US | disclosed |
| EP-0876370-A1 | CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1998-11-11 | — | — | EP | disclosed |
| WO-1997025325-A1 | CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-07-17 | — | — | WO | disclosed |